714287-55-5
Product Name:
4-(4-nitrophenyl)-3-phenyl-1-(p-tolyl)-6,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(4H)-one
Formula:
C25H20N4O3S
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COMPUTED DESCRIPTORS
| Molecular Weight | 456.5 g/mol |
|---|---|
| XLogP3 | 5.2 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Exact Mass | 456.12561169 g/mol |
| Monoisotopic Mass | 456.12561169 g/mol |
| Topological Polar Surface Area | 118 Ų |
| Heavy Atom Count | 33 |
| Formal Charge | 0 |
| Complexity | 696 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |